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Template proteins with similar binding site:
Click to view | Rank | CscoreLB | PDB Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Lig. Name | Download Complex | Predicted binding site residues |
| 1 | 0.01 | 2jgsD | 0.341 | 3.95 | 0.025 | 0.493 | 0.41 | BTN | complex1.pdb.gz | 22,45,47,73 |
| 2 | 0.01 | 1ij8B | 0.294 | 3.92 | 0.046 | 0.441 | 0.58 | NDG | complex2.pdb.gz | 20,22,46,48 |
| 3 | 0.01 | 1zbx0 | 0.448 | 4.28 | 0.049 | 0.699 | 0.43 | III | complex3.pdb.gz | 14,15,19,20,21,46,65 |
| 4 | 0.01 | 2aviB | 0.290 | 5.09 | 0.030 | 0.544 | 0.45 | NDG | complex4.pdb.gz | 25,42,43,44 |
| 5 | 0.01 | 1sijA | 0.404 | 4.45 | 0.060 | 0.662 | 0.54 | FES | complex5.pdb.gz | 19,20,21,22,45,46,47,48 |
| 6 | 0.01 | 3fahA | 0.472 | 4.68 | 0.046 | 0.779 | 0.62 | GOL | complex6.pdb.gz | 13,20,21,22 |
| | Click on the radio buttons to visualize predicted binding site and residues. |
| (a) | CscoreLB is the confidence score of predicted binding site. CscoreLB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction. |
| (b) | BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
| | (c) | TM-score is a measure of global structural similarity between query and template protein. |
| (d) | RMSDa the RMSD between residues that are structurally aligned by TM-align. |
| (e) | IDENa is the percentage sequence identity in the structurally aligned region. |
| (f) | Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein. |
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